Information card for entry 7202063

Structure parameters

• Formula: C37 H36 N O6 P
• Calculated formula: C37 H36 N O6 P
• SMILES: c12c(ccc3ccccc13)OP(=O)(Oc1c2c2ccccc2cc1)[O-].c1(ccccc1)[C@@H](O)[C@H](c1ccccc1)[NH3+].OCCC
• Title of publication: Formation of supramolecular host system with multiple chiral points (central, axial, and helical) by using (1R,2S)-2-amino-1,2-diphenylethanol
• Authors of publication: Imai, Yoshitane; Murata, Katuzo; Matsuno, Hideki; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 8
• Pages of publication: 947
• a: 8.6388 ± 0.0008 Å
• b: 14.7982 ± 0.0014 Å
• c: 24.537 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3136.8 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0817
• Residual factor for significantly intense reflections: 0.0758
• Weighted residual factors for significantly intense reflections: 0.1693
• Weighted residual factors for all reflections included in the refinement: 0.172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.195
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No